# Define elements.
elements = [Oxygen, Hydrogen, Hydrogen]

# Define coordinates.
c0 = [[  0.00,   0.00,   0.12],
      [  0.00,   0.76,  -0.48],
      [  0.00,  -0.76,  -0.48]]*Angstrom

c1 = [[  0.00,   0.00,   1.20],
      [  0.00,   0.76,  -0.48],
      [  0.00,  -0.76,  -0.48]]*Angstrom

# Set up a list of configurations.
configuration_list = [ MoleculeConfiguration(elements,c) for c in [c0,c1] ]

# Create the NudgedElasticBand object.
neb = NudgedElasticBand(configuration_list)

# Set a calculator on the configurations in the NEB - for analysis.
neb.setCalculator(LCAOCalculator())

# Create a Trajectory with a TotalEnergy analysis carried out on each configuration.
t = MakeTrajectory(neb, TotalEnergy)